0  B13R2.3683  O=C1C=CC2=C(N=CC(Br)=C2)N1 MAY00219 [0,0,0,0,0,0|3,0,0]=3
1  B12R2.24  BrC1=CC2=C(C=C1)C=NC=C2 NP42946 [1,0,0,0,0,0|3,0,0]=4
2  B12R2.24  BrC1=CC=C2N=CC=NC2=C1 CC11710 [1,0,0,0,0,0|3,0,0]=4
3  B12R2.24  NC1=CC2=CC=CC=C2C=N1 BTB10019 [1,0,0,0,0,0|3,0,0]=4
4  B12R2.24  NC1=CC2=NC=CN=C2C=C1 CC11714 [1,0,0,0,0,0|3,0,0]=4
5  B14R2.2332  CC1=CC=C2C=C(C=O)C=CC2=N1 CC28404 [0,1,0,0,0,0|2,0,0]=3
6  B14R2.2332  CC1=CC=C2C=C(CO)C=CC2=N1 CC28409 [0,1,0,0,0,0|2,0,0]=3
7  B12R2.606  CC1=CC2=C(C=C1)SC(Br)=C2 MO07070 [0,0,0,0,1,0|1,1,0]=3
8  B12R2.606  NC1=CC2=C(C=C1)NC(=O)O2 CC75714 [0,0,0,0,1,0|3,0,0]=4
9  B12R2.606  O=C1CC2=CC(Br)=CC=C2N1 S05248 [0,0,0,0,1,0|2,0,1]=4
10  B12R2.606  O=C1NC2=C(C=C(Br)C=C2)O1 CC75710 [0,0,0,0,1,0|3,0,0]=4
11  B12R2.612  CN1C=CC2=C1C=CC(Br)=C2 CC41410 [0,0,0,0,1,0|3,0,0]=4
12  B12R2.612  CN1C=CC2=CC(N)=CC=C21 CC41414 [0,0,0,0,1,0|3,0,0]=4
13  B12R2.612  NC1=CC2=C(C=C1)C(=O)CC2 NRB01003 [0,0,0,0,1,0|1,0,2]=4
14  B12R2.612  O=C1COC2=C1C=CC(O)=C2 SEW02738 [0,0,0,0,1,0|2,0,1]=4
15  B13R2.57  NCC1=NC2=CC=CC=C2C=C1 CC04463 [1,1,0,0,0,0|2,0,0]=4
16  B13R2.57  O=CC1=CC2=CC=CN=C2C=C1 CC04504 [1,1,0,0,0,0|1,0,1]=4
17  B13R2.57  O=CC1=NC2=C(C=CC=C2)C=C1 CC04404 [1,1,0,0,0,0|1,0,0]=3
18  B13R2.57  O=CC1=NC2=C(C=CC=C2)N=C1 CC03504 [1,1,0,0,0,0|2,0,0]=4
19  B13R2.57  OCC1=CC2=CC=CN=C2C=C1 CC04509 [1,1,0,0,0,0|1,0,0]=3
20  B13R2.162  CC1=NC2=C(Cl)C=CC=C2C=C1 RJC01118 [1,1,0,0,0,0|2,0,0]=4
21  B13R2.369  CC1=C(Cl)N=C2C=CC=CC2=C1 NRB00907 [1,1,0,0,0,0|2,0,0]=4
22  B13R2.43  CC1=CC2=C(C=C1)SC(C=O)=C2 MO07071 [0,1,0,0,1,0|0,1,0]=3
23  B13R2.43  CC1=CC=C2SC(CO)=CC2=C1 MO07149 [0,1,0,0,1,0|0,1,1]=4
24  B13R2.43  O=CC1=CC2=C(C=CC(Br)=C2)O1 CC31204 [0,1,0,0,1,0|1,0,0]=3
25  B13R2.43  OCC1=CC2=C(C=CC(Br)=C2)O1 CC31209 [0,1,0,0,1,0|1,0,1]=4
26  B13R2.2130  CN1C=CC2=C1C=CC(C=O)=C2 CC41404 [0,1,0,0,1,0|2,0,0]=4
27  B13R2.2130  CN1C=CC2=C1C=CC(CO)=C2 CC41409 [0,1,0,0,1,0|2,0,0]=4
28  B15R2.7180  CC1=CC=C2C=C(C(=O)O)C=CC2=N1 CC28401 [0,2,0,0,0,0|2,0,0]=4
29  B15R2.7180  CC1=CC=C2C=C([N+](=O)[O-])C=CC2=N1 BTB06234 [0,2,0,0,0,0|2,0,0]=4
30  B11R1.166  CC1=CC=C(C(=O)O)C(N)=C1 TL00555 [0,0,1,0,1,0|2,0,0]=4
31  B11R1.166  CC1=CC=C(C(N)=O)C(N)=C1 TL00794 [0,0,1,0,1,0|2,0,0]=4
32  B11R2.1  BrC1=COC2=C1C=CC=C2 CC27510 [1,0,0,0,1,0|2,0,0]=4
33  B11R2.10  BrC1=CC2=C(C=CC=C2)O1 CC06610 [1,0,0,0,1,0|1,0,0]=3
34  B11R2.10  BrC1=CC2=C(C=CC=C2)S1 CC12210 [1,0,0,0,1,0|1,1,0]=4
35  B11R2.36  BrC1=CC2=C(C=C1)OC=C2 CC07110 [1,0,0,0,1,0|1,0,0]=3
36  B11R2.36  NC1=CC2=C(C=C1)OC=C2 CC07114 [1,0,0,0,1,0|1,0,0]=3
37  B11R2.36  NC1=CC2=C(C=C1)SC=C2 CC24814 [1,0,0,0,1,0|1,1,0]=4